N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]hexadecanamide

Systemtic Name: N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]hexadecanamide Openeye Name: N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]hexadecanamide CAS Name: N-[(7S)-1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]hexadecanamide IUPAC Name: N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]hexadecanamide Traditional Name: N-[(7S)-9-keto-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]palmitamide Formula: C36H53NO5S MolecularWeight: 611.87472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC

InChI

InChI=1S/C36H53NO5S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33(39)37-29-22-20-26-24-31(40-2)35(41-3)36(42-4)34(26)27-21-23-32(43-5)30(38)25-28(27)29/h21,23-25,29H,6-20,22H2,1-5H3,(H,37,39)/t29-/m0/s1